Molecule ID: mol19634

SMILES: Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCc2ccccc2C1

InChI: InChI=1S/C22H26N6O2/c1-15-13-28-18-19(24(2)22(30)25(3)20(18)29)23-21(28)27(15)11-6-10-26-12-9-16-7-4-5-8-17(16)14-26/h4-5,7-8,13H,6,9-12,14H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.66 OCHEM 1 » 0
8.66 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization